trimethyl-[(E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-5-en-6-yl]oxysilane

C16H21F13OSi — CID 14914250

IUPACtrimethyl-[(E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-5-en-6-yl]oxysilane
SMILESCCCC/C=C(\CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)C
InChIInChI=1S/C16H21F13OSi/c1-5-6-7-8-10(30-31(2,3)4)9-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h8H,5-7,9H2,1-4H3/b10-8+
InChIKeyRBIKXQSMDFTNGK-CSKARUKUSA-N
MW504.40 g/mol
LogP8.04
Rot. Bonds11

About trimethyl-[(E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-5-en-6-yl]oxysilane

trimethyl-[(E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-5-en-6-yl]oxysilane (PubChem CID 14914250) has the molecular formula C16H21F13OSi and a molecular weight of 504.40 g/mol. Its IUPAC name is trimethyl-[(E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-5-en-6-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-5-en-6-yl]oxysilane
PubChem CID14914250
Molecular FormulaC16H21F13OSi
Molecular Weight504.40 g/mol
Exact Mass504.12
IUPAC Nametrimethyl-[(E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-5-en-6-yl]oxysilane
SMILESCCCC/C=C(\CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)C
InChIInChI=1S/C16H21F13OSi/c1-5-6-7-8-10(30-31(2,3)4)9-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h8H,5-7,9H2,1-4H3/b10-8+
InChIKeyRBIKXQSMDFTNGK-CSKARUKUSA-N
XLogP8.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.40
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-5-en-6-yl]oxysilane?
The IUPAC name of trimethyl-[(E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-5-en-6-yl]oxysilane (CID 14914250) is trimethyl-[(E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-5-en-6-yl]oxysilane.
What is the SMILES notation for trimethyl-[(E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-5-en-6-yl]oxysilane?
The canonical SMILES for trimethyl-[(E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-5-en-6-yl]oxysilane is CCCC/C=C(\CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[(E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-5-en-6-yl]oxysilane?
The InChIKey is RBIKXQSMDFTNGK-CSKARUKUSA-N. The full InChI is InChI=1S/C16H21F13OSi/c1-5-6-7-8-10(30-31(2,3)4)9-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h8H,5-7,9H2,1-4H3/b10-8+.
What are the key properties of trimethyl-[(E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-5-en-6-yl]oxysilane?
trimethyl-[(E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-5-en-6-yl]oxysilane has a molecular weight of 504.40 g/mol, XLogP of 8.04, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridec-5-en-6-yl]oxysilane is sourced from PubChem (CID 14914250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).